2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone Openeye Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(5-methyl-3-phenyl-isoxazol-4-yl)ethanone CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-(5-methyl-3-phenyl-4-isoxazolyl)ethanone IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone Traditional Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(5-methyl-3-phenyl-isoxazol-4-yl)ethanone Formula: C23H22ClN4O2S+ MolecularWeight: 453.96438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C23H21ClN4O2S/c1-15-21(22(26-30-15)16-5-3-2-4-6-16)19(29)14-27-9-11-28(12-10-27)23-25-18-13-17(24)7-8-20(18)31-23/h2-8,13H,9-12,14H2,1H3/p+1